SCHEMBL483669

SCHEMBL483669

CC(C)(C)[C@@]1(c2ccc(OCc3ccccc3C#N)cc2)CC[C@]2(CCNC2=O)N1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
ADAM17 P78536 4/20 0.40
MMP1 P03956 3/20 0.40
MAOB P27338 2/20 0.39
KCNH2 Q12809 1/20 0.39
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
ALKBH1 Q13686 1/20 0.36
BACE1 P56817 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
MET P08581 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
XDH P47989 1/20 0.33
ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL310837 0.87 MAOB (0.41) ADAM17MMP1MAOBKCNH2
SCHEMBL483563 0.87 MAOB (0.41) ADAM17MMP1MAOBKCNH2
SCHEMBL484166 0.82 MAOB (0.40) ADAM17MMP1MAOBKCNH2
SCHEMBL483703 0.82 MAOB (0.40) ADAM17MMP1MAOBKCNH2
SCHEMBL483534 0.78 HPD (0.39) MAOBKCNH2
SCHEMBL2832503 0.76 KCNH2 (0.49) FFAR1ADAM17MMP1MAOBKCNH2
SCHEMBL310843 0.74 MAOB (0.42) ADAM17MMP1MAOBKCNH2
SCHEMBL483226 0.74 HPD (0.40) ADAM17MMP1MAOBKCNH2SPHK2
SCHEMBL483666 0.74 KCNH2 (0.45) FFAR1ADAM17MMP1MAOBKCNH2
SCHEMBL483539 0.74 HPD (0.40) ADAM17MMP1MAOBKCNH2SPHK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed